⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3252263 | 0.72 | PARP1 (0.33) | — | |
| SCHEMBL5799588 | 0.70 | PARP1 (0.33) | — | |
| SCHEMBL14861248 | 0.65 | CA2 (0.35) | — | |
| SCHEMBL3342714 | 0.65 | — | — | |
| SCHEMBL3342259 | 0.65 | USP2 (0.32) | — | |
| SCHEMBL5801310 | 0.65 | PARP1 (0.34) | — | |
| SCHEMBL7977933 | 0.61 | — | — | |
| SCHEMBL5800029 | 0.58 | ATM (0.32) | — | |
| SCHEMBL3252843 | 0.55 | KDM4E (0.40) | — | |
| SCHEMBL3658558 | 0.55 | ALDH1A1 (0.31) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060116368-A1 | 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-06-01 | — | — | US | claimed |
| US-20060116368-A1 | 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-06-01 | — | — | US | disclosed |